7-ethyl-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]coumarin Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S/c1-2-16-6-7-20-17(13-22(26)31-21(20)12-16)15-23-8-10-24(11-9-23)32(29,30)19-5-3-4-18(14-19)25(27)28/h3-7,12-14H,2,8-11,15H2,1H3